0 mol 17 unq 0 iso 0 dist 6.89863 7.96836 9.81441 8.48453 11.074 13.5023 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.89863 7.96836 9.81441 8.80499 10.1562 15.703 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 6.89863 8.49309 12.5373 8.48453 11.074 16.6172 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 6.89863 8.49309 12.5373 8.80499 10.1562 16.0163 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 6.50287 9.1695 4.86646 7.51978 11.6633 15.6611 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 7.05107 7.45482 5.73242 9.99643 9.19693 4.78811 numMergedOcc 0
6 mol 91 unq 0 iso 0 dist 6.17698 8.87546 7.98707 7.28711 3.5994 10.7033 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 7.46413 5.57391 6.06914 8.5073 7.67605 6.7474 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 9.51094 8.58873 5.36829 9.0339 10.3663 5.28089 numMergedOcc 0
9 mol 132 unq 1 iso 0 dist 9.51094 8.58873 5.36829 8.48641 9.16496 4.50065 numMergedOcc 0
10 mol 132 unq 2 iso 0 dist 9.51094 8.58873 5.36829 6.23573 8.10884 10.672 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 5.78397 8.68179 6.73015 6.64164 5.89138 7.9092 numMergedOcc 0
12 mol 167 unq 1 iso 0 dist 5.78397 5.32056 6.63124 6.64164 5.89138 6.45463 numMergedOcc 0
13 mol 167 unq 2 iso 0 dist 5.78397 9.52659 12.0166 6.64164 5.89138 6.67469 numMergedOcc 0
14 mol 167 unq 3 iso 0 dist 5.36359 6.26373 8.3419 4.93984 6.7811 4.70374 numMergedOcc 0
15 mol 167 unq 4 iso 0 dist 5.36359 8.94308 6.73015 4.93984 6.7811 6.05722 numMergedOcc 0
16 mol 167 unq 5 iso 0 dist 5.36359 9.74227 6.63124 4.93984 6.7811 8.90206 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 8.17498 8.71535 7.06805 4.71403 7.21368 5.28322 numMergedOcc 0
18 mol 213 unq 1 iso 0 dist 8.17498 5.51558 12.4435 4.71403 7.21368 7.76105 numMergedOcc 0
19 mol 241 unq 0 iso 0 dist 5.53619 8.73768 6.58489 8.98617 5.40514 4.86885 numMergedOcc 0
20 mol 241 unq 1 iso 0 dist 5.53619 8.73768 6.58489 6.74552 4.82191 5.89144 numMergedOcc 0
21 mol 276 unq 0 iso 0 dist 8.02433 8.63212 13.3593 7.11272 13.0895 11.0537 numMergedOcc 0
22 mol 276 unq 1 iso 0 dist 8.02433 8.63212 13.3593 6.24808 5.95336 9.50779 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 7.39418 9.71269 8.63632 7.28096 6.27066 5.09322 numMergedOcc 0
24 mol 287 unq 1 iso 0 dist 7.39418 9.40407 7.31462 7.28096 6.27066 12.3043 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 7.39418 9.71269 8.63632 7.28096 6.27066 5.09322 numMergedOcc 0
26 mol 288 unq 1 iso 0 dist 7.39418 9.40407 7.31462 7.28096 6.27066 12.3043 numMergedOcc 0
27 mol 289 unq 0 iso 0 dist 7.39418 9.71269 8.63632 7.28096 6.27066 5.09322 numMergedOcc 0
28 mol 289 unq 1 iso 0 dist 7.39418 9.40407 7.31462 7.28096 6.27066 12.3043 numMergedOcc 0
